N,N-diethylnaphthalen-1-amine

• ChemBase ID: 108856
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: CCN(CC)c1cccc2c1cccc2
• Canonical SMILES: CCN(c1cccc2c1cccc2)CC
• InChI: InChI=1S/C14H17N/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
• InChIKey: XLEMRIJDZGESRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylnaphthalen-1-amine
• IUPAC Traditional name: N,N-diethylnaphthalen-1-amine
• Synonyms: DIETHYL-α-NAPHTHYLAMINE

Database IDs

• CAS Number: 84-95-7
• EC Number: 201-576-8
• PubChem SID: 162094195
• PubChem CID: 66547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1612926
• LogD (pH = 7.4): 3.7671924
• Log P: 3.7843823
• Molar Refractivity: 66.434 cm^3
• Polarizability: 26.508287 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209001

MP Biomedicals Rare Chemical collection